3,4-Dihydronaphthalene-2-carboxylic acid

HCID 582283
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Basic information

CAS
22440-38-6
Standard SMILES
O=C(O)C1=Cc2ccccc2CC1
InChIKey
DQLKBRLDGQHWCJ-UHFFFAOYSA-N
Molecular formula
C11H10O2
Average molar mass
174.2 g/mol
Monoisotopic mass
174.06807956

Names & identifiers

Preferred name
3,4-Dihydronaphthalene-2-carboxylic acid
IUPAC
3,4-dihydronaphthalene-2-carboxylic acid
English name
3,4-Dihydronaphthalene-2-carboxylic acid
Molecular formula
C11H10O2
Molecular weight
174.2

Names & synonyms

3,4-dihydronaphthalene-2-carboxylic acid22440-38-6DTXSID80342475RefChem:271075DTXCID402935553,4-dihydro-2-naphthoic acid2-Naphthalenecarboxylic acid, 3,4-dihydro-3,4-Dihydro-.beta.-naphthoic acidSCHEMBL983738SCHEMBL29427899AT235263,4-Dihydro-2-naphthalenecarboxylic acid #

Database identifiers

CAS
22440-38-6
PubChem CID
582283
DTXSID
DTXSID80342475
Nikkaji
J83.187E

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Melting point
120 °C · 120 °C
Boiling point
306.8 · 306.8±21.0 °C(Predicted)
Density
1.246 · 1.246±0.06 g/cm3(Predicted)
pka
4.59 · 4.59±0.20(Predicted)

Chemistry & industry

Suppliers1 total

苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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